Feff84 Cu feff.inp
From FEFF
This is an example input file for Cu for FEFF84.
TITLE copper
HOLE 1 1.0
CONTROL 1 1 1 1 1 1
PRINT 0 0 0 0 0 0
RPATH 5.5
LDOS -30 20 0.1
POTENTIALS
0 29 Cu
1 29 Cu
ATOMS
0.00000 0.00000 0.00000 0 Cu0 0.00000
0.00000 1.80500 -1.80500 1 Cu1 2.55266
-1.80500 -1.80500 0.00000 1 Cu1 2.55266
1.80500 0.00000 -1.80500 1 Cu1 2.55266
0.00000 -1.80500 1.80500 1 Cu1 2.55266
1.80500 1.80500 0.00000 1 Cu1 2.55266
0.00000 -1.80500 -1.80500 1 Cu1 2.55266
-1.80500 1.80500 0.00000 1 Cu1 2.55266
0.00000 1.80500 1.80500 1 Cu1 2.55266
-1.80500 0.00000 -1.80500 1 Cu1 2.55266
-1.80500 0.00000 1.80500 1 Cu1 2.55266
1.80500 0.00000 1.80500 1 Cu1 2.55266
1.80500 -1.80500 0.00000 1 Cu1 2.55266
0.00000 -3.61000 0.00000 1 Cu1 3.61000
0.00000 0.00000 -3.61000 1 Cu1 3.61000
0.00000 0.00000 3.61000 1 Cu1 3.61000
-3.61000 0.00000 0.00000 1 Cu1 3.61000
3.61000 0.00000 0.00000 1 Cu1 3.61000
0.00000 3.61000 0.00000 1 Cu1 3.61000
-1.80500 3.61000 1.80500 1 Cu1 4.42133
1.80500 3.61000 1.80500 1 Cu1 4.42133
-1.80500 -3.61000 -1.80500 1 Cu1 4.42133
-1.80500 3.61000 -1.80500 1 Cu1 4.42133
1.80500 3.61000 -1.80500 1 Cu1 4.42133
-1.80500 -3.61000 1.80500 1 Cu1 4.42133
-3.61000 1.80500 -1.80500 1 Cu1 4.42133
1.80500 -3.61000 1.80500 1 Cu1 4.42133
3.61000 1.80500 -1.80500 1 Cu1 4.42133
-3.61000 1.80500 1.80500 1 Cu1 4.42133
-3.61000 -1.80500 -1.80500 1 Cu1 4.42133
3.61000 -1.80500 1.80500 1 Cu1 4.42133
1.80500 -3.61000 -1.80500 1 Cu1 4.42133
-3.61000 -1.80500 1.80500 1 Cu1 4.42133
3.61000 1.80500 1.80500 1 Cu1 4.42133
-1.80500 -1.80500 3.61000 1 Cu1 4.42133
-1.80500 -1.80500 -3.61000 1 Cu1 4.42133
1.80500 1.80500 -3.61000 1 Cu1 4.42133
1.80500 -1.80500 -3.61000 1 Cu1 4.42133
1.80500 -1.80500 3.61000 1 Cu1 4.42133
-1.80500 1.80500 -3.61000 1 Cu1 4.42133
-1.80500 1.80500 3.61000 1 Cu1 4.42133
1.80500 1.80500 3.61000 1 Cu1 4.42133
3.61000 -1.80500 -1.80500 1 Cu1 4.42133
3.61000 -3.61000 0.00000 1 Cu1 5.10531
3.61000 0.00000 -3.61000 1 Cu1 5.10531
3.61000 0.00000 3.61000 1 Cu1 5.10531
-3.61000 3.61000 0.00000 1 Cu1 5.10531
0.00000 3.61000 3.61000 1 Cu1 5.10531
-3.61000 0.00000 3.61000 1 Cu1 5.10531
-3.61000 -3.61000 0.00000 1 Cu1 5.10531
0.00000 -3.61000 3.61000 1 Cu1 5.10531
-3.61000 0.00000 -3.61000 1 Cu1 5.10531
3.61000 3.61000 0.00000 1 Cu1 5.10531
0.00000 -3.61000 -3.61000 1 Cu1 5.10531
0.00000 3.61000 -3.61000 1 Cu1 5.10531
0.00000 -5.41500 1.80500 1 Cu1 5.70791
1.80500 -5.41500 0.00000 1 Cu1 5.70791
0.00000 -5.41500 -1.80500 1 Cu1 5.70791
-1.80500 0.00000 5.41500 1 Cu1 5.70791
-5.41500 0.00000 -1.80500 1 Cu1 5.70791
5.41500 -1.80500 0.00000 1 Cu1 5.70791
-1.80500 5.41500 0.00000 1 Cu1 5.70791
5.41500 0.00000 -1.80500 1 Cu1 5.70791
-5.41500 -1.80500 0.00000 1 Cu1 5.70791
1.80500 5.41500 0.00000 1 Cu1 5.70791
5.41500 1.80500 0.00000 1 Cu1 5.70791
0.00000 5.41500 -1.80500 1 Cu1 5.70791
0.00000 -1.80500 -5.41500 1 Cu1 5.70791
0.00000 5.41500 1.80500 1 Cu1 5.70791
1.80500 0.00000 5.41500 1 Cu1 5.70791
0.00000 1.80500 5.41500 1 Cu1 5.70791
5.41500 0.00000 1.80500 1 Cu1 5.70791
1.80500 0.00000 -5.41500 1 Cu1 5.70791
0.00000 1.80500 -5.41500 1 Cu1 5.70791
0.00000 -1.80500 5.41500 1 Cu1 5.70791
-5.41500 0.00000 1.80500 1 Cu1 5.70791
-5.41500 1.80500 0.00000 1 Cu1 5.70791
-1.80500 0.00000 -5.41500 1 Cu1 5.70791
-1.80500 -5.41500 0.00000 1 Cu1 5.70791
END
